6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine

C14H17N5O — CID 137012728

IUPAC6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine
SMILESCOc1cccc(-n2nc(C(C)C)c3c(N)[nH]nc32)c1
InChIInChI=1S/C14H17N5O/c1-8(2)12-11-13(15)16-17-14(11)19(18-12)9-5-4-6-10(7-9)20-3/h4-8H,1-3H3,(H3,15,16,17)
InChIKeyNACVPGSWFPLDCJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.46
Rot. Bonds3

About 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine

6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine (PubChem CID 137012728) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine
PubChem CID137012728
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine
SMILESCOc1cccc(-n2nc(C(C)C)c3c(N)[nH]nc32)c1
InChIInChI=1S/C14H17N5O/c1-8(2)12-11-13(15)16-17-14(11)19(18-12)9-5-4-6-10(7-9)20-3/h4-8H,1-3H3,(H3,15,16,17)
InChIKeyNACVPGSWFPLDCJ-UHFFFAOYSA-N
XLogP2.46
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-1-(3-methoxyphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 170395288
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
4-(3-methoxyphenyl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 26435609
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790
1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976009
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 114799034
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine (CID 137012728) is 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine is COc1cccc(-n2nc(C(C)C)c3c(N)[nH]nc32)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine?
The InChIKey is NACVPGSWFPLDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8(2)12-11-13(15)16-17-14(11)19(18-12)9-5-4-6-10(7-9)20-3/h4-8H,1-3H3,(H3,15,16,17).
What are the key properties of 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine?
6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine has a molecular weight of 271.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 137012728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).